SCHEMBL8624700

SCHEMBL8624700

COCCc1ccccc1OOP(=O)(O)C(CCCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.38
HPGD P15428 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8621531 0.89 FDFT1 (0.38) FDFT1PTGESALOX5PPARGANPEP
SCHEMBL8625455 0.85 AKR1C3 (0.39) FDFT1PPARGANPEPERAP1
SCHEMBL8625443 0.84 KDM4E (0.38) FDFT1ANPEPERAP1
SCHEMBL8624696 0.78 FDFT1 (0.37) FDFT1
SCHEMBL8947028 0.76 FDFT1 (0.56) FDFT1
SCHEMBL8947039 0.72 LAP3 (0.36) FDFT1ANPEPERAP1
SCHEMBL8622492 0.71 FDFT1 (0.40) FDFT1
SCHEMBL8624703 0.71 FDPS (0.38) HPGD
SCHEMBL8621508 0.70 FDFT1 (0.49) FDFT1ANPEPERAP1
SCHEMBL8623460 0.68 FDFT1 (0.44) FDFT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US claimed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed